1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol

C16H30N2O — CID 115813553

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol
SMILESCCc1cc(CC(O)CC(C)CC(C)(C)C)n(C)n1
InChIInChI=1S/C16H30N2O/c1-7-13-9-14(18(6)17-13)10-15(19)8-12(2)11-16(3,4)5/h9,12,15,19H,7-8,10-11H2,1-6H3
InChIKeyJFXQESMURBUILF-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.35
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol

1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol (PubChem CID 115813553) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol
PubChem CID115813553
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol
SMILESCCc1cc(CC(O)CC(C)CC(C)(C)C)n(C)n1
InChIInChI=1S/C16H30N2O/c1-7-13-9-14(18(6)17-13)10-15(19)8-12(2)11-16(3,4)5/h9,12,15,19H,7-8,10-11H2,1-6H3
InChIKeyJFXQESMURBUILF-UHFFFAOYSA-N
XLogP3.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
CID 115813546
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol
CID 105107607
1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
CID 114211654
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 83091915
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83138444
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79060083
1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695553
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol
CID 115813550
4-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81020037
4,6,6-trimethyl-1-pyridin-2-ylheptan-2-ol
CID 115810990

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol (CID 115813553) is 1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol is CCc1cc(CC(O)CC(C)CC(C)(C)C)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol?
The InChIKey is JFXQESMURBUILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-7-13-9-14(18(6)17-13)10-15(19)8-12(2)11-16(3,4)5/h9,12,15,19H,7-8,10-11H2,1-6H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol?
1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol has a molecular weight of 266.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol is sourced from PubChem (CID 115813553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).